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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1200668
CHEMBL1200668
Compound Name CALCIUM CHLORIDE
ChEMBL Synonyms CALCIUM CHLORIDE | Calcium Chloride Dihydrate | 45CA | 47CA | CALCIUM CHLORIDE CA 47 | E509 | Cal Plus | CALCIUM CHLORIDE CA 45
Max Phase 4 (Approved)
Trade Names Calcium Chloride Dihydrate | Cal Plus
Molecular Formula CaCl2

Additional synonyms for CHEMBL1200668 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Cl-].[Cl-].[Ca+2]
Standard InChI InChI=1S/Ca.2ClH/h;2*1H/q+2;;/p-2
Standard InChI Key UXVMQQNJUSDDNG-UHFFFAOYSA-L

Sources

  • British National Formulary
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1200668

Molecule Features

CHEMBL1200668 compound icon
Drug Type:Inorganic Rule of Five:N First In Class:N Chirality:Unknown Prodrug:N Oral:N Parenteral:Y Topical:N Black Box:N Availability Type:Prescription-only

Clinical Data

ClinicalTrials.gov CALCIUM CHLORIDE
The Cochrane Collaboration CALCIUM CHLORIDE

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
111 109.9003 - - - -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
- - - - - -


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - - - - - -0

Structural Alerts

There are no structural alerts for CHEMBL1200668

Compound Cross References

ATC B - BLOOD AND BLOOD FORMING ORGANS
B05 - BLOOD SUBSTITUTES AND PERFUSION SOLUTIONS
B05X - I.V. SOLUTION ADDITIVES
B05XA - Electrolyte solutions
B05XA07 - calcium chloride

A - ALIMENTARY TRACT AND METABOLISM
A12 - MINERAL SUPPLEMENTS
A12A - CALCIUM
A12AA - Calcium
A12AA07 - calcium chloride

G - GENITO URINARY SYSTEM AND SEX HORMONES
G04 - UROLOGICALS
G04B - UROLOGICALS
G04BA - Acidifiers
G04BA03 - calcium chloride

ChemSpider ChemSpider:UXVMQQNJUSDDNG-UHFFFAOYSA-L
DailyMed calcium chloride
PubChem SID: 144209783
Wikipedia Calcium_chloride

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1200668



ACToR 14639-81-7 10043-52-4
Atlas CaCl2 1 millimolar CaCl2 + 12.5mM CaCl2
Brenda 138824 218
ChEBI 3312
ChemicalBook CB3465202
DrugBank DB01164
eMolecules 475298 5753930
EPA CompTox Dashboard DTXSID5020235
FDA SRS OFM21057LP
KEGG Ligand C08130
MolPort MolPort-003-925-250
Nikkaji J43.724G
PharmGKB PA448729
PubChem 24854 5284359
PubChem: Thomson Pharma 14991914 16201550
SureChEMBL SCHEMBL3095

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/UXVMQQNJUSDDNG-UHFFFAOYSA-L spacer
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